2-[2-[2-(cyanomethylsulfanyl)ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(cyanomethylsulfanyl)ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-(cyanomethylsulfanyl)acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-(cyanomethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-(cyanomethylthio)acetyl]amino]thiazol-4-yl]acetic acid Formula: C9H9N3O3S2 MolecularWeight: 271.31606

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)NC(=O)CSCC#N)CC(=O)O

Isomeric SMILES

C1=C(N=C(S1)NC(=O)CSCC#N)CC(=O)O

InChI

InChI=1S/C9H9N3O3S2/c10-1-2-16-5-7(13)12-9-11-6(4-17-9)3-8(14)15/h4H,2-3,5H2,(H,14,15)(H,11,12,13)